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. 2014 Oct 10;136(44):15798–15805. doi: 10.1021/ja5099935

Figure 8.

Figure 8

Competing transition states for the addition of N-methylaniline and methyl azide to 3-fluorobenzyne (1b) and 3-chlorobenzyne (1c). Transition states were located using B3LYP/6-311+G(d).